Publications

2-Bromo-3-nitrobenzaldehyde

The title compound, C7H4BrNO3, was isolated as a by-product while attempting to prepare a diselenide. There is a close intra­molecular Br⋯O contact [2.984 (2) Å]. The mol­ecules form loosely associated dimers held together by weak inter­molecular Br⋯O inter­actions with the nitro O atoms [Br⋯O = 3.179 (3) Å]. As a result of these inter­actions, there is also a close Br⋯Br inter­molecular contact [3.8714 (6) Å]. In addition, there are weak inter­molecular C—H⋯O inter­actions. The combination of these inter­actions produces sheets which propagate in the (210) and (\overline{2}10) directions perpendicular to c.

Therapeutic Potential of Se―N Heterocycles: Advances in Biological and Antioxidant Applications

Abstract Se―N heterocycles have emerged as a promising class of bioactive molecules due to their unique redox properties and structural versatility. Such compounds exhibit good antioxidant activity and effectively mimic the function of glutathione peroxidase (GPx), a key enzyme in oxidative stress regulation. Among them, ebselen (2‐phenyl‐1,2‐benzoisoselenazol‐3‐[2 H ] one), a five‐membered Se―N heterocyclic compound and its analogues have been extensively studied for their anti‐inflammatory and neuroprotective roles. Selenazoles, selenadiazoles, spiroselenuranes, and selenoxides further expand the organoselenium landscape, offering diverse mechanisms of biological action. Recent advances underscore their potential in therapeutic applications including cancer, neurodegeneration, and ferroptosis. This review highlights the structural evolution and biological relevance of Se―N heterocycles as emerging enzyme mimetics and drug candidates for future therapeutics in diseases under oxidative stress.

Effect of licofelone against mechanical hyperalgesia and cold allodynia in the rat model of incisional pain.

No abstract is provided for this article.

CCDC 734618: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Electrochemical Synthesis of 3-Selenyl-Chromones via Domino C(sp2)-H Bond Selenylation/Annulation of Enaminones

Herein, we disclose a highly efficient pathway toward 3-selenylated chromone derivatives via electrosynthesis domino C(sp²)-H bond selenylation/cyclization/deamination of 2-hydroxyaryl enaminones with diselenides. This method showed mild conditions, easy operation, a wide substrate scope, and good functional group tolerance. Furthermore, this electrosynthesis strategy was amenable to scaling up the reaction. Additionally, the preliminary experiments revealed that this reaction probably proceeded via a cation pathway instead of a radical pathway.

CCDC 1047474: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Fluoxetine suppresses morphine tolerance and dependence: Modulation of NO-cGMP/DA/serotoninergic pathways

Although the phenomenon of opioid tolerance and dependence has been widely investigated, neither opioid nor non-opioid mechanisms are completely understood. In view of the modulation of 5-HT transport into presynaptic terminals in the brain by nitric oxide (NO) via cGMP, and the existence of a tonic 5-HTergic inhibition of dopamine release, the present study investigated the effect of fluoxetine, a selective serotonin reuptake inhibitor, and NO modulators L-N(G)-nitroarginine methyl ester (L-NAME; NO synthase inhibitor) and L-Arginine (substrate for nitric oxide synthase) alone or in combination against morphine tolerance and dependence. Animals developed tolerance to the antinociceptive effect of morphine (10 mg/kg s.c. twice daily) on day 3 and the degree of tolerance was further enhanced on days 9 and 10. The development of tolerance to the antinociceptive effect of morphine was delayed by prior administration of fluoxetine (10 mg/kg i.p, twice daily for 9 days) and L-NAME (10 mg/kg i.p. twice daily for 9 days) alone or in combination. It was accentuated by L-Arginine (50 mg/kg i.p. twice daily for 9 days) alone or in combination with fluoxetine (10 mg/kg i.p. twice daily for 9 days). Similarly, fluoxetine (10 mg/kg i.p.) or L-NAME (10 mg/kg i.p.), when administered acutely on day 10, reversed morphine-induced tolerance. L-Arginine (50 mg/kg i.p.) however, when administered acutely on day 10, accentuated morphine tolerance. Fluoxetine (10 mg/kg i.p. twice daily for 9 days) suppressed the development of morphine dependence as assessed by naloxone (2 mg/kg i.p.)-precipitated withdrawal jumps. This suppression of dependence was potentiated by L-NAME (10 mg/kg i.p. twice daily for 9 days) and reversed by L-Arginine (50 mg/kg i.p. twice daily for 9 days), respectively. Acute administration of the respective drugs on day 10 modulated morphine dependence in a similar fashion. L-Arginine also reversed fluoxetine-induced weight loss in morphine-dependent animals. The present study demonstrated that fluoxetine suppressed the dependence and development of tolerance to the antinociceptive effect of morphine. Fluoxetine-induced suppression was potentiated by L-NAME and accentuated by L-Arginine. The results therefore suggest that a complex phenomenon such as morphine tolerance and dependence might involve close interplay of the NO-c GMP/5-HT/DA receptor system. To the best of the authors' knowledge, this is the first report to suggest targeting this cascade for amelioration of opioid tolerance and withdrawal syndrome.

CCDC 996307: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Aspects of Intramolecularly Coordinated Organochalcogen Derivatives

Recent progress in the area of intramolecularly coordinated organochalcogens, in particular, organoselenium derivatives, is reviewed. Intramolecular coordination facilitates isolation of (a) stable organoselenenyl iodides, (b) chiral diselenides, (c) organotriselenides, d) cleavage of Te─C bond, e) metal-free synthesis of chalcogenaaza macrocycles, and f) isolation of cyclic selenenate esters. The synthesis of organoselenium compounds incorporating two ortho-coordinating groups is also discussed.

CCDC 726578: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Selective cyclooxygenase-2 inhibitors in inflammatory bowel disease

No abstract is provided for this article.

CCDC 824739: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Structures, stability and hydrogen bonding in inositol conformers

The structures, energetics and hydrogen bonding pattern of 13 possible inositol isomers were investigated using<italic>ab initio</italic>calculations and the molecular tailoring approach (MTA).

An Order of Magnitude Modulation of Singlet Fission Rates in NDI Cyclophanes by Tuning Inter-chromophoric Electronic Coupling

Singlet fission (SF) is a process of multi-exciton generation in molecular aggregates where two independent triplet states are formed via an intermediate correlated triplet-triplet (1TT) pair state. SF has been shown to occur within a minimal dimeric unit with chromophores having monomer triplet energies that are half the allowed bright singlet state energy. Recently this idea was challenged by the first report of a cyclophane constructed from naphthalene-di-imide (NDI) units which do not satisfy the triplet energy criteria. In order to uncover electronic nature of the dynamic 1TT stabilization in such supramolecular constructs, herein we have synthesized five new NDI cyclophanes by altering the distance and angle between the NDI units. Using a combination of transient absorption spectroscopy supported by high-level electronic structure calculations, we find that SF is tolerant in these rigid dimeric structures up to distances of 4.5 Å while the rise of the 1TT-state gradually slows down from 400-fs to 4.6-ps concomitant with the decrease in the inter-chromophoric electronic coupling. Our work therefore demonstrates that the thermodynamic criteria of singlet exciton fission isn’t in the Singlet-Triplet energetics of the constitutive monomer rather in the stabilization of the multiexcitonic 1TT pair state in its minimal dimeric unit.

Effect of 5-lipoxygenase inhibitor against lipopolysaccharide-induced hypothermia in mice.

Bacterial endotoxin produces sepsis associated with alterations in body temperature (fever or hypothermia). The intraperitoneal administration of bacterial endotoxin, lipopolysaccharide (LPS; 50 microg/mouse) led to a decrease in colonic temperature starting 1 hr after the injection. The hypothermic effect was accompanied by a significant increase in hypothalamic leukotriene B4 (LTB4) and prostaglandin E2 (PGE2) levels. 5-lipoxygenase inhibitor, zileuton (200 and 400 mg/kg, po) administered 30 min before LPS challenge significantly prevented hypothermia. However, non-selective cyclooxygenase inhibitor, indomethacin (10, 20 mg/kg, po) did not reverse the hypothermic response. Further, pretreatment of mice with zileuton prevented LPS-stimulated increase in hypothalamic LTB4 levels and caused a relatively small increase in PGE2 levels. Indomethacin had no effect on LTB4 levels but it reduced PGE2 levels. These results suggest a possible involvement of leukotrienes in LPS-induced hypothermia and the potential protective role of 5-lipoxygenase inhibitors in endotoxemia.

CCDC 2011383: Experimental Crystal Structure Determination

CCDC 660998: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 655107: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.